Magnetic ordering in a vanadium-organic coordination polymer using a pyrrolo[2,3-<i>d</i>:5,4-<i>d</i>′]bis(thiazole)-based ligand

Getmanenko, Yulia A.; Mullins, Christopher S.; Нестеров, В. Н.; Lake, Stephanie; Risko, Chad; Johnston-Halperin, Ezekiel

doi:10.1039/c8ra05697h

Cited by 4 publications

(1 citation statement)

References 44 publications

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“…As such, it is not surprising that the first example of these thiazole species was the DTP analogue pyrrolo[2,3- d :5,4- d ′]bisthiazole (PBTz, Figure 2 ) [ 15 , 16 , 17 ]. Introduced by Heeney and co-workers in 2010 [ 15 ], these new PBTz units have then been applied to both small molecules [ 16 , 18 ] and polymeric materials [ 15 , 19 , 20 , 21 , 22 ].…”

Section: Introductionmentioning

confidence: 99%

Molecular Tuning in Diaryl-Capped Pyrrolo[2,3-d:5,4-d′]bisthiazoles: Effects of Terminal Aryl Unit and Comparison to Dithieno[3,2-b:2′,3′-d]pyrrole Analogues

Uzelac

Badía-Domínguez²,

Gilman³

et al. 2022

Molecules

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A series of six conjugated oligomers consisting of a central pyrrolo[2,3‑d:5,4‑d′]bisthiazole (PBTz) end-capped with either thienyl, furyl, or phenyl groups have been prepared from N-alkyl-and N-aryl-pyrrolo[2,3‑d:5,4‑d′]bisthiazoles via Stille and Negishi cross-coupling. The full oligomeric series was thoroughly investigated via photophysical and electrochemical studies, in parallel with density functional theory (DFT) calculations, in order to correlate the cumulative effects of both aryl end-groups and N-functionalization on the resulting optical and electronic properties. Through comparison with the analogous dithieno[3,2-b:2′,3′-d]pyrrole (DTP) materials, the effect of replacing DTP with PBTz on the material HOMO energy and visible light absorption is quantified.

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Section: Introductionmentioning

confidence: 99%

Molecular Tuning in Diaryl-Capped Pyrrolo[2,3-d:5,4-d′]bisthiazoles: Effects of Terminal Aryl Unit and Comparison to Dithieno[3,2-b:2′,3′-d]pyrrole Analogues

Uzelac

Badía-Domínguez²,

Gilman³

et al. 2022

Molecules

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Probing the structure of vanadium tetracyanoethylene using electron energy-loss spectroscopy

et al. 2022

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The molecule-based ferrimagnetic semiconductor vanadium tetracyanoethylene (V[TCNE] x, x [Formula: see text] 2) has garnered interest from the quantum information community due to its excellent coherent magnonic properties and ease of on-chip integration. Despite these attractive properties, a detailed understanding of the electronic structure and mechanism for long-range magnetic ordering have remained elusive due to a lack of detailed atomic and electronic structural information. Previous studies via x-ray absorption near edge spectroscopy and the extended x-ray absorption fine structure have led to various proposed structures, and in general, V[TCNE] x is believed to be a three-dimensional network of octahedrally coordinated V2+, each bonded to six TCNE molecules. Here, we elucidate the electronic structure, structural ordering, and degradation pathways of V[TCNE] x films by correlating calculations of density functional theory (DFT) with scanning transmission electron microscopy and electron energy-loss spectroscopy (EELS) of V[TCNE] x films. Low-loss EELS measurements reveal a bandgap and an excited state structure that agree quantitatively with DFT modeling, including an energy splitting between apical and equatorial TCNE ligands within the structure, providing experimental results directly backed by theoretical descriptions of the electronic structure driving the robust magnetic ordering in these films. Core-loss EELS confirms the presence of octahedrally coordinated V+2 atoms. Upon oxidation, changes in the C1s- π* peak indicate that C=C of TCNE is preferentially attacked. Furthermore, we identify a relaxation of the structural ordering as the films age. These results lay the foundation for a more comprehensive and fundamental understanding of magnetic ordering and dynamics in these classes of metal–ligand compounds.

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Recent reports on vanadium based coordination polymers and MOFs

Gupta¹

2022

Reviews in Inorganic Chemistry

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Coordination polymers (CP) and metal-organic frameworks (MOF) have become a topic of immense interest in this century primarily because of the structural diversity that they offer. This structural diversity results in their multifaceted utility in various fields of science and technology such as catalysis, medicine, gas storage or separation, conductivity and magnetism. Their utility inspires a large variety of scientists to engage with them in their scientific pursuit thus creating a buzz around them in the scientific community. Metals capable of forming CPs and MOFs are primarily transition metals. Among them vanadium-based CPs and MOFs demand detailed discussion because of the unique nature of vanadium which makes it stable in many oxidation states and coordination number. Vanadium’s versatility imparts additional structural marvel and usefulness to these CPs and MOFs.

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Magnetic ordering in a vanadium-organic coordination polymer using a pyrrolo[2,3-d:5,4-d′]bis(thiazole)-based ligand

Abstract: Here we present the synthesis and characterization of a hybrid vanadium-organic coordination polymer with robust magnetic order, a Curie temperatureTCof ∼110 K, a coercive field of ∼5 Oe at 5 K.

Cited by 4 publications

References 44 publications

Molecular Tuning in Diaryl-Capped Pyrrolo[2,3-d:5,4-d′]bisthiazoles: Effects of Terminal Aryl Unit and Comparison to Dithieno[3,2-b:2′,3′-d]pyrrole Analogues

Molecular Tuning in Diaryl-Capped Pyrrolo[2,3-d:5,4-d′]bisthiazoles: Effects of Terminal Aryl Unit and Comparison to Dithieno[3,2-b:2′,3′-d]pyrrole Analogues

Probing the structure of vanadium tetracyanoethylene using electron energy-loss spectroscopy

Recent reports on vanadium based coordination polymers and MOFs

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